3(S)-phytanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM166069 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1 formula C41H70N7O17P3S charge -4 mass 1057.37837 reference biggM:CE5122 InChIKey NRJQGHHZMSOUEN-GHNRCNJJSA-J InChI InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t27-,28-,29?,30?,34?,35?,36?,40+/m1/s1 SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1O[C@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph